N-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine

C12H28N2O — CID 63982714

IUPACN-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
SMILESCCC(C)(C)N(C)CCCNCCOC
InChIInChI=1S/C12H28N2O/c1-6-12(2,3)14(4)10-7-8-13-9-11-15-5/h13H,6-11H2,1-5H3
InChIKeyHMWGGRWQCLEERI-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds9

About N-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine

N-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine (PubChem CID 63982714) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
PubChem CID63982714
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
SMILESCCC(C)(C)N(C)CCCNCCOC
InChIInChI=1S/C12H28N2O/c1-6-12(2,3)14(4)10-7-8-13-9-11-15-5/h13H,6-11H2,1-5H3
InChIKeyHMWGGRWQCLEERI-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 63966558
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine
CID 62562216
N,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine
CID 63964794
N-(3-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine
CID 60925630
3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine
CID 62576720
N'-ethyl-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62569840
methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate
CID 63965064
N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 62597133
N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine
CID 62569487
N-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N'-methylbutane-1,4-diamine
CID 62568763
N-methyl-N-(2-methylbutan-2-yl)hexan-1-amine
CID 167034677

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine (CID 63982714) is N-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine is CCC(C)(C)N(C)CCCNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine?
The InChIKey is HMWGGRWQCLEERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-12(2,3)14(4)10-7-8-13-9-11-15-5/h13H,6-11H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine?
N-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 63982714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).